(2S)-2-(4-chlorophenyl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one

Systemtic Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one Openeye Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one CAS Name: (2S)-2-[(4-chlorophenyl)thio]-1-[4-(2-ethoxyphenyl)-1-piperazinyl]-1-propanone IUPAC Name: (2S)-2-(4-chlorophenyl)sulfanyl-1-[4-(2-ethoxyphenyl)piperazin-1-yl]propan-1-one Traditional Name: (2S)-2-[(4-chlorophenyl)thio]-1-(4-o-phenetylpiperazino)propan-1-one Formula: C21H25ClN2O2S MolecularWeight: 404.9534

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)C(C)SC3=CC=C(C=C3)Cl

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)C(=O)[C@H](C)SC3=CC=C(C=C3)Cl

InChI

InChI=1S/C21H25ClN2O2S/c1-3-26-20-7-5-4-6-19(20)23-12-14-24(15-13-23)21(25)16(2)27-18-10-8-17(22)9-11-18/h4-11,16H,3,12-15H2,1-2H3/t16-/m0/s1